2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole

C18H27N3 — CID 82334138

IUPAC2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
SMILESCC(C)c1ccc2c(c1)nc(C1CCNCC1)n2C(C)C
InChIInChI=1S/C18H27N3/c1-12(2)15-5-6-17-16(11-15)20-18(21(17)13(3)4)14-7-9-19-10-8-14/h5-6,11-14,19H,7-10H2,1-4H3
InChIKeyGNRPYPZPDGCSEE-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.21
Rot. Bonds3

About 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole

2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole (PubChem CID 82334138) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
PubChem CID82334138
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
SMILESCC(C)c1ccc2c(c1)nc(C1CCNCC1)n2C(C)C
InChIInChI=1S/C18H27N3/c1-12(2)15-5-6-17-16(11-15)20-18(21(17)13(3)4)14-7-9-19-10-8-14/h5-6,11-14,19H,7-10H2,1-4H3
InChIKeyGNRPYPZPDGCSEE-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole?
The IUPAC name of 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole (CID 82334138) is 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole.
What is the SMILES notation for 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole?
The canonical SMILES for 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole is CC(C)c1ccc2c(c1)nc(C1CCNCC1)n2C(C)C.
What is the InChIKey of 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole?
The InChIKey is GNRPYPZPDGCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)15-5-6-17-16(11-15)20-18(21(17)13(3)4)14-7-9-19-10-8-14/h5-6,11-14,19H,7-10H2,1-4H3.
What are the key properties of 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole?
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole has a molecular weight of 285.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole is sourced from PubChem (CID 82334138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).